(5R)-4-(2,4-difluorophenyl)-5-methoxy-5,6,7,8-tetrahydroquinoline-2-carboxamide

C17H16F2N2O2 — CID 174021509

IUPAC(5R)-4-(2,4-difluorophenyl)-5-methoxy-5,6,7,8-tetrahydroquinoline-2-carboxamide
SMILESCO[C@@H]1CCCc2nc(C(N)=O)cc(-c3ccc(F)cc3F)c21
InChIInChI=1S/C17H16F2N2O2/c1-23-15-4-2-3-13-16(15)11(8-14(21-13)17(20)22)10-6-5-9(18)7-12(10)19/h5-8,15H,2-4H2,1H3,(H2,20,22)/t15-/m1/s1
InChIKeyDHCRHCLWCLRPBF-OAHLLOKOSA-N
MW318.32 g/mol
LogP3.15
Rot. Bonds3

About (5R)-4-(2,4-difluorophenyl)-5-methoxy-5,6,7,8-tetrahydroquinoline-2-carboxamide

(5R)-4-(2,4-difluorophenyl)-5-methoxy-5,6,7,8-tetrahydroquinoline-2-carboxamide (PubChem CID 174021509) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is (5R)-4-(2,4-difluorophenyl)-5-methoxy-5,6,7,8-tetrahydroquinoline-2-carboxamide.

Molecular Properties

Compound Name(5R)-4-(2,4-difluorophenyl)-5-methoxy-5,6,7,8-tetrahydroquinoline-2-carboxamide
PubChem CID174021509
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC Name(5R)-4-(2,4-difluorophenyl)-5-methoxy-5,6,7,8-tetrahydroquinoline-2-carboxamide
SMILESCO[C@@H]1CCCc2nc(C(N)=O)cc(-c3ccc(F)cc3F)c21
InChIInChI=1S/C17H16F2N2O2/c1-23-15-4-2-3-13-16(15)11(8-14(21-13)17(20)22)10-6-5-9(18)7-12(10)19/h5-8,15H,2-4H2,1H3,(H2,20,22)/t15-/m1/s1
InChIKeyDHCRHCLWCLRPBF-OAHLLOKOSA-N
XLogP3.15
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(1S)-1-(difluoromethoxy)ethyl]-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
CID 134363887
(2R)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
CID 159230599
(2S)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;methyl thiohypofluorite
CID 157143150
(2R)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;ethyl (2R)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate;ethyl (2S)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate;methane
CID 159224273
4-(2,4-difluorophenyl)-7-[(1-methyltetrazol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 118911297
5-(2,4-difluorophenyl)-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
CID 134363734
[6-(2,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
CID 175568957
4-(2,4-difluorophenyl)-7-[(3-fluoro-5,5-dimethyloxolan-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 118902417
(8R)-4-(2,4-difluorophenyl)-8-methyl-7-[(2-methylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 155925951
2-(difluoromethyl)-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
CID 142316375
ethyl 5-(2,4-difluorophenyl)-2-(methoxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate
CID 134363816
1-[2-(2,4-difluorophenyl)-4-fluorophenyl]ethanone
CID 22482372

Frequently Asked Questions

What is the IUPAC name of (5R)-4-(2,4-difluorophenyl)-5-methoxy-5,6,7,8-tetrahydroquinoline-2-carboxamide?
The IUPAC name of (5R)-4-(2,4-difluorophenyl)-5-methoxy-5,6,7,8-tetrahydroquinoline-2-carboxamide (CID 174021509) is (5R)-4-(2,4-difluorophenyl)-5-methoxy-5,6,7,8-tetrahydroquinoline-2-carboxamide.
What is the SMILES notation for (5R)-4-(2,4-difluorophenyl)-5-methoxy-5,6,7,8-tetrahydroquinoline-2-carboxamide?
The canonical SMILES for (5R)-4-(2,4-difluorophenyl)-5-methoxy-5,6,7,8-tetrahydroquinoline-2-carboxamide is CO[C@@H]1CCCc2nc(C(N)=O)cc(-c3ccc(F)cc3F)c21.
What is the InChIKey of (5R)-4-(2,4-difluorophenyl)-5-methoxy-5,6,7,8-tetrahydroquinoline-2-carboxamide?
The InChIKey is DHCRHCLWCLRPBF-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c1-23-15-4-2-3-13-16(15)11(8-14(21-13)17(20)22)10-6-5-9(18)7-12(10)19/h5-8,15H,2-4H2,1H3,(H2,20,22)/t15-/m1/s1.
What are the key properties of (5R)-4-(2,4-difluorophenyl)-5-methoxy-5,6,7,8-tetrahydroquinoline-2-carboxamide?
(5R)-4-(2,4-difluorophenyl)-5-methoxy-5,6,7,8-tetrahydroquinoline-2-carboxamide has a molecular weight of 318.32 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-(2,4-difluorophenyl)-5-methoxy-5,6,7,8-tetrahydroquinoline-2-carboxamide is sourced from PubChem (CID 174021509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).